6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

C24H32FN7O2 — CID 176748248

About 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 176748248) has the molecular formula C24H32FN7O2 and a molecular weight of 469.57 g/mol. Its IUPAC name is 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
• PubChem CID: 176748248
• Molecular Formula: C24H32FN7O2
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.26
• IUPAC Name: 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(N2CCC(N3CCC(c4nc5c(c(=O)[nH]4)CCCN5C)C3)CC2)c(F)n1
• InChI: InChI=1S/C24H32FN7O2/c1-26-24(34)18-5-6-19(20(25)27-18)31-12-8-16(9-13-31)32-11-7-15(14-32)21-28-22-17(23(33)29-21)4-3-10-30(22)2/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,26,34)(H,28,29,33)
• InChIKey: GZBGOSAHPGZRGC-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 97.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?

The IUPAC name of 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (CID 176748248) is 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCC(c4nc5c(c(=O)[nH]4)CCCN5C)C3)CC2)c(F)n1.

What is the InChIKey of 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?

The InChIKey is GZBGOSAHPGZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN7O2/c1-26-24(34)18-5-6-19(20(25)27-18)31-12-8-16(9-13-31)32-11-7-15(14-32)21-28-22-17(23(33)29-21)4-3-10-30(22)2/h5-6,15-16H,3-4,7-14H2,1-2H3,(H,26,34)(H,28,29,33).

What are the key properties of 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?

6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176748248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).